spin2_oc_oracle_v1
model_sha256 1744fddc200b83a842cdf46bf57a5207bd074c7801e24d69863c66b4a961abbd
descriptor_dim 33
spin_descriptor_dim 3
case zero 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
potential 5 -1.89542325525137695e-01 2.09857496341650268e-01 -1.93407299382325676e-01 2.14745851223793749e-01 -1.93891987624348505e-01
forces 15 5.88728210610209562e-03 -1.10092340829005386e-02 -4.18152482534782637e-03 -1.12549946696084268e-02 -5.95879075484196871e-03 1.65408018005490202e-02 -7.79863544891239765e-05 9.11121151347774917e-03 5.77125989420670948e-03 1.34766876525733853e-02 1.67327986592922251e-02 -1.78563165518095951e-02 -8.03098873457793253e-03 -8.87598533502747221e-03 -2.74220317598307286e-04
virial 45 -7.52445761816078820e-03 -7.32552619426071056e-03 -7.98997621625075058e-04 -6.28879174184197517e-03 9.69015097310231034e-03 2.49553151730002015e-03 1.26659865000418553e-03 2.69626395331569067e-03 -2.74070158611233738e-03 -2.16959399022083983e-03 -2.14696994604264904e-03 7.73766604271532328e-03 9.03604964369346007e-04 -6.28180730978469999e-03 2.79187078171443115e-03 3.88303231011571199e-03 5.34279488463744023e-03 -1.25788542499860444e-02 -1.00412070197809572e-03 4.48489870768743401e-05 -3.22053449192074692e-04 -3.34171789305436713e-03 8.68371871889791341e-03 5.11661174120428292e-03 -5.44672899703533197e-04 6.13057093408394399e-03 -2.10240997514771081e-03 -9.41704337479859314e-03 -6.06204056003268720e-03 8.52652507181152208e-03 -7.86655267763281853e-03 -1.45859599349188896e-02 1.03706914567750792e-02 1.32993441996790678e-02 1.06598619963650144e-02 -1.31164896282205332e-02 -8.44045099278837099e-03 -9.20571240333292913e-03 3.49846876297587239e-04 -8.10194276843228395e-03 -9.05897418488039313e-03 1.85611257812947445e-03 -2.41131534008816274e-03 -2.19867369327877678e-03 -1.14600348215477968e-03
mforces 15 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00
tau 15 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
descriptor 165 -1.33121540354174422e-01 6.17644283204494549e-02 -1.91856719824256228e-01 9.71674312160687587e-02 -2.18349523290935904e-02 1.19937652300893503e-02 1.16411059427781543e-03 3.54195676566211419e-03 5.33495803446987910e-03 8.59965614444139874e-03 3.40270254264821090e-02 2.51629886824047879e-03 3.15292006947349122e-03 1.53622830960366604e-02 1.08360124447022498e-02 4.18656240181558281e-02 2.48064050926030373e-03 1.41422668665088219e-02 1.62091767715733075e-02 1.74407898006846730e-02 4.95158079263932557e-02 2.94727178885587689e-03 2.77420286459728847e-02 1.47035059642530996e-02 2.92163016397861131e-02 -2.30873249582848284e-03 3.98914235375677847e-05 6.23918598306631234e-05 -1.95030759329576438e-04 -1.93820610821974419e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.62927531040839957e-01 -1.01536189557755632e-01 -2.41283513502291769e-01 -6.30292690219339535e-02 -2.76157526293599798e-01 4.05193028154781591e-03 1.10286495855557525e-03 9.65221605929424738e-04 1.26549036223279360e-02 4.06149564657516324e-03 1.20267956746897449e-02 3.23071609443380996e-03 3.21098452089214068e-03 5.14972306702643663e-03 8.96348602956893552e-03 1.79231833629861156e-02 7.57909436960123219e-03 7.37587124740191578e-03 8.72901216078328900e-03 1.45350147054251842e-02 1.88489706266435110e-02 1.60499950788453236e-02 1.49412950545159320e-02 2.81204488568070551e-02 1.59727656504577951e-02 3.71351440407419479e-04 2.14836326499250529e-05 3.79605503197283275e-05 4.64458348675917800e-05 2.40361397046255003e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.02773905576920080e-01 1.50610259512226313e-01 -1.80720367912428570e-01 4.14417886192463558e-02 -2.03375416660594166e-02 1.22770649502378679e-03 1.01864132797548166e-03 8.24835939183970156e-03 1.08702688036168725e-03 7.06942870849763903e-03 5.09771333116664730e-03 1.86788669612960754e-03 8.17049368595179799e-03 4.28851418659949996e-03 8.10453360723640583e-03 2.38464177793797326e-02 2.14583248365323755e-03 6.30193436498201458e-03 1.33583870251086888e-02 2.39644763398185572e-02 4.83447488819830906e-02 2.13494020473684694e-03 1.15976327236536753e-02 2.45490938204090195e-02 4.80878480412909037e-02 -4.20708731995036048e-05 2.96332347441326904e-05 -2.16075070629112754e-04 -3.63445881886630142e-05 -1.02112108752438340e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.24592171535618607e-01 -1.19392611790491696e-01 -1.75170129545102443e-01 5.88800639649975782e-03 -2.99535414195021277e-01 9.11881349867631631e-04 7.56484516682647597e-04 4.18859987462533178e-04 1.29167097832236615e-02 3.76285351052712191e-03 4.27936358289481705e-03 3.16365589145684804e-03 1.31319635140596377e-03 1.29261237043170243e-02 5.76891100398653749e-03 1.05296995657573247e-02 6.88113788640693468e-03 2.92161837802289246e-03 6.67784834748541469e-03 1.11923509050757871e-02 1.75734546042152252e-02 1.03630704392395391e-02 4.95465228842634307e-03 3.79547391483020611e-03 2.21603779829780169e-02 3.94807657029140461e-05 -4.45425878577731765e-05 -1.77209580232982379e-05 -5.33825568903599501e-04 -3.72714085330587509e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.50692693798820168e-02 1.14577277455450863e-01 -2.06724716128444869e-01 6.67038564001096734e-02 -1.39599008657689150e-01 1.14456401970888257e-03 2.50292499703768431e-04 6.58420954625610778e-03 7.14085646258019908e-04 3.95103429385221770e-03 4.82488533145573797e-03 8.16005397720695751e-04 7.57002840472685394e-03 1.89878510471661304e-03 6.40363486819076413e-03 1.04530295371036072e-02 1.79496645472987338e-03 6.19886846388652355e-03 3.46443880016569913e-03 8.09209839196578691e-03 1.51524631899511292e-02 2.97881898492973743e-03 8.39565953702250435e-03 4.68349074442050376e-03 9.30913599929950389e-03 -1.12538279685946087e-04 8.12494393227153974e-06 -2.14282826436036026e-04 1.74982305215025663e-05 -1.35822310896838183e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
end
case collinear 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 0.00000000000000000e+00 0.00000000000000000e+00 8.00000000000000044e-01 0.00000000000000000e+00 0.00000000000000000e+00 -5.99999999999999978e-01 0.00000000000000000e+00 0.00000000000000000e+00 1.10000000000000009e+00 0.00000000000000000e+00 0.00000000000000000e+00 -2.99999999999999989e-01 0.00000000000000000e+00 0.00000000000000000e+00 5.00000000000000000e-01
potential 5 -2.01027528853578691e-01 2.09857496341650268e-01 -2.11625327425832899e-01 2.14745851223793749e-01 -1.99604935530873301e-01
forces 15 5.47526820424887230e-03 -1.24722213778924087e-02 -3.46347244927930429e-03 -1.01571405245524000e-02 -1.29271136145013479e-03 1.84716050153414663e-02 4.15953467489952114e-03 8.44626033852110235e-03 6.75850515739533607e-03 1.31788224941244234e-02 1.81047270480133131e-02 -1.82159456341214609e-02 -1.26564848487204194e-02 -1.27860546471918711e-02 -3.55069208933604359e-03
virial 45 -9.46336573776109316e-03 -9.60664442549049973e-03 -2.09530530128908873e-03 -8.57400417153816007e-03 1.10986324762007808e-02 2.22889406391785488e-03 -3.31307497793502902e-05 2.42776034465990061e-03 -3.22160778089577602e-03 -3.00103995908983148e-03 2.09291831057000118e-03 7.94907165298109827e-03 5.11244919168276756e-03 -1.13705713921961014e-02 -8.29131122727190702e-04 4.12839877705810029e-03 1.70766799224680767e-03 -1.50240800496593049e-02 -1.48682388549436725e-03 -4.14652047992868089e-04 -6.14782760248682282e-04 -3.76039348460635321e-03 1.08077550870953800e-02 5.65021473947221759e-03 -8.22020215109150998e-04 6.64273565196939631e-03 -2.02829499446730227e-03 -9.74255919040382078e-03 -5.34568116735524915e-03 8.17674496804784816e-03 -7.11769693566095991e-03 -1.77280176808727596e-02 1.20174963115790498e-02 1.29049017056010133e-02 1.23301978954886426e-02 -1.33509055498190303e-02 -1.43990397981696404e-02 -1.24889113220168334e-02 -2.50427016307385765e-03 -1.14233252521627471e-02 -1.17488572459806123e-02 4.34282044889573206e-06 -5.26669112135331151e-03 -4.03654507167389241e-03 -2.59396865047847956e-03
mforces 15 -0.00000000000000000e+00 -0.00000000000000000e+00 2.44793786936259652e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 1.90875458395619729e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 3.33325159203374313e-02
tau 15 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00
descriptor 165 -1.33121540354174422e-01 6.17644283204494549e-02 -1.91856719824256228e-01 9.71674312160687587e-02 -2.18349523290935904e-02 1.19937652300893503e-02 1.16411059427781543e-03 3.54195676566211419e-03 5.33495803446987910e-03 8.59965614444139874e-03 3.40270254264821090e-02 2.51629886824047879e-03 3.15292006947349122e-03 1.53622830960366604e-02 1.08360124447022498e-02 4.18656240181558281e-02 2.48064050926030373e-03 1.41422668665088219e-02 1.62091767715733075e-02 1.74407898006846730e-02 4.95158079263932557e-02 2.94727178885587689e-03 2.77420286459728847e-02 1.47035059642530996e-02 2.92163016397861131e-02 -2.30873249582848284e-03 3.98914235375677847e-05 6.23918598306631234e-05 -1.95030759329576438e-04 -1.93820610821974419e-04 8.32000000000000184e-01 3.05683287826923222e-01 2.14583172403935346e-01 1.62927531040839957e-01 -1.01536189557755632e-01 -2.41283513502291769e-01 -6.30292690219339535e-02 -2.76157526293599798e-01 4.05193028154781591e-03 1.10286495855557525e-03 9.65221605929424738e-04 1.26549036223279360e-02 4.06149564657516324e-03 1.20267956746897449e-02 3.23071609443380996e-03 3.21098452089214068e-03 5.14972306702643663e-03 8.96348602956893552e-03 1.79231833629861156e-02 7.57909436960123219e-03 7.37587124740191578e-03 8.72901216078328900e-03 1.45350147054251842e-02 1.88489706266435110e-02 1.60499950788453236e-02 1.49412950545159320e-02 2.81204488568070551e-02 1.59727656504577951e-02 3.71351440407419479e-04 2.14836326499250529e-05 3.79605503197283275e-05 4.64458348675917800e-05 2.40361397046255003e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.02773905576920080e-01 1.50610259512226313e-01 -1.80720367912428570e-01 4.14417886192463558e-02 -2.03375416660594166e-02 1.22770649502378679e-03 1.01864132797548166e-03 8.24835939183970156e-03 1.08702688036168725e-03 7.06942870849763903e-03 5.09771333116664730e-03 1.86788669612960754e-03 8.17049368595179799e-03 4.28851418659949996e-03 8.10453360723640583e-03 2.38464177793797326e-02 2.14583248365323755e-03 6.30193436498201458e-03 1.33583870251086888e-02 2.39644763398185572e-02 4.83447488819830906e-02 2.13494020473684694e-03 1.15976327236536753e-02 2.45490938204090195e-02 4.80878480412909037e-02 -4.20708731995036048e-05 2.96332347441326904e-05 -2.16075070629112754e-04 -3.63445881886630142e-05 -1.02112108752438340e-05 1.57300000000000040e+00 4.03485552645609313e-01 1.32832669940502274e-01 1.24592171535618607e-01 -1.19392611790491696e-01 -1.75170129545102443e-01 5.88800639649975782e-03 -2.99535414195021277e-01 9.11881349867631631e-04 7.56484516682647597e-04 4.18859987462533178e-04 1.29167097832236615e-02 3.76285351052712191e-03 4.27936358289481705e-03 3.16365589145684804e-03 1.31319635140596377e-03 1.29261237043170243e-02 5.76891100398653749e-03 1.05296995657573247e-02 6.88113788640693468e-03 2.92161837802289246e-03 6.67784834748541469e-03 1.11923509050757871e-02 1.75734546042152252e-02 1.03630704392395391e-02 4.95465228842634307e-03 3.79547391483020611e-03 2.21603779829780169e-02 3.94807657029140461e-05 -4.45425878577731765e-05 -1.77209580232982379e-05 -5.33825568903599501e-04 -3.72714085330587509e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.50692693798820168e-02 1.14577277455450863e-01 -2.06724716128444869e-01 6.67038564001096734e-02 -1.39599008657689150e-01 1.14456401970888257e-03 2.50292499703768431e-04 6.58420954625610778e-03 7.14085646258019908e-04 3.95103429385221770e-03 4.82488533145573797e-03 8.16005397720695751e-04 7.57002840472685394e-03 1.89878510471661304e-03 6.40363486819076413e-03 1.04530295371036072e-02 1.79496645472987338e-03 6.19886846388652355e-03 3.46443880016569913e-03 8.09209839196578691e-03 1.51524631899511292e-02 2.97881898492973743e-03 8.39565953702250435e-03 4.68349074442050376e-03 9.30913599929950389e-03 -1.12538279685946087e-04 8.12494393227153974e-06 -2.14282826436036026e-04 1.74982305215025663e-05 -1.35822310896838183e-04 3.25000000000000011e-01 2.68032809632520297e-01 4.10331242916920469e-01
end
case noncollinear 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 8.00000000000000044e-01 1.00000000000000006e-01 2.00000000000000011e-01 2.00000000000000011e-01 9.00000000000000022e-01 -1.00000000000000006e-01 -2.99999999999999989e-01 4.00000000000000022e-01 6.99999999999999956e-01 5.00000000000000000e-01 -2.00000000000000011e-01 5.99999999999999978e-01 -4.00000000000000022e-01 -2.99999999999999989e-01 8.00000000000000044e-01
potential 5 -1.87869237246890447e-01 2.09857496341650268e-01 -1.98737789608810195e-01 2.14745851223793749e-01 -2.02224588443994213e-01
forces 15 8.18384500743622040e-05 -1.38716285153174784e-02 -5.89307927930855617e-03 -9.98414453654991249e-03 -3.19549482679053892e-03 1.88615629436111876e-02 1.79625983870332546e-03 7.00481783286232684e-03 5.67492195255650707e-03 1.32552722669506198e-02 1.69850966939369824e-02 -1.86209248520604401e-02 -5.14922601917839826e-03 -6.92279118469129630e-03 -2.24807647987008388e-05
virial 45 -2.60323609993737357e-03 -2.78889135055438147e-03 2.11092229286554594e-03 -1.74728378023692333e-03 1.18602015742560081e-02 4.56336281248980076e-03 4.17820772072063744e-03 4.75985947481108538e-03 -1.20908582928759751e-03 -2.88732859971239150e-03 -3.35228807733425026e-03 6.22376051898993095e-03 -3.09265624147626568e-04 -1.02243551978093410e-02 -7.79550020355476367e-04 2.37007753759385393e-03 1.76076059225679449e-03 -1.58216588690603191e-02 -2.62295097503815718e-03 1.87179866865876164e-04 -7.73220442125399036e-04 -3.20244038763965342e-03 7.17745819242390174e-03 4.69381947060791473e-03 -9.99919905132870936e-04 5.71090027356547809e-03 -2.37132051777223145e-03 -9.36834761503106163e-03 -5.78295893417968016e-03 8.23179694583777571e-03 -7.58486950488369924e-03 -1.47597149825661848e-02 1.08277762992795325e-02 1.30109675380871669e-02 1.11367028660717717e-02 -1.44134206443452661e-02 -3.87160997325133177e-03 -4.28051209183364506e-03 3.27696515802544533e-03 -3.17361129012817648e-03 -4.75810198117465003e-03 4.70293249454455890e-03 5.10891582324498380e-04 6.40117849861231679e-04 6.30592886504587318e-04
mforces 15 -7.99999663964357302e-03 -4.19870995660842107e-04 1.57321292183121644e-02 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -3.43388044436793247e-04 -6.69788707475067399e-03 1.65842310277306386e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 2.95650313605577133e-03 4.56647048008915896e-03 1.50920006516759124e-02
tau 15 1.65718712096338499e-03 -1.41857027025784465e-02 4.64102867435683649e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.13222133634177276e-02 4.73489767721343643e-03 2.14672134019991932e-03 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -8.18077657957410123e-03 8.40200276951498341e-03 -9.39637251218932378e-04
descriptor 165 -1.33121540354174422e-01 6.17644283204494549e-02 -1.91856719824256228e-01 9.71674312160687587e-02 -2.18349523290935904e-02 1.19937652300893503e-02 1.16411059427781543e-03 3.54195676566211419e-03 5.33495803446987910e-03 8.59965614444139874e-03 3.40270254264821090e-02 2.51629886824047879e-03 3.15292006947349122e-03 1.53622830960366604e-02 1.08360124447022498e-02 4.18656240181558281e-02 2.48064050926030373e-03 1.41422668665088219e-02 1.62091767715733075e-02 1.74407898006846730e-02 4.95158079263932557e-02 2.94727178885587689e-03 2.77420286459728847e-02 1.47035059642530996e-02 2.92163016397861131e-02 -2.30873249582848284e-03 3.98914235375677847e-05 6.23918598306631234e-05 -1.95030759329576438e-04 -1.93820610821974419e-04 8.97000000000000242e-01 -1.40189253288521276e-01 1.23697551286431187e-01 1.62927531040839957e-01 -1.01536189557755632e-01 -2.41283513502291769e-01 -6.30292690219339535e-02 -2.76157526293599798e-01 4.05193028154781591e-03 1.10286495855557525e-03 9.65221605929424738e-04 1.26549036223279360e-02 4.06149564657516324e-03 1.20267956746897449e-02 3.23071609443380996e-03 3.21098452089214068e-03 5.14972306702643663e-03 8.96348602956893552e-03 1.79231833629861156e-02 7.57909436960123219e-03 7.37587124740191578e-03 8.72901216078328900e-03 1.45350147054251842e-02 1.88489706266435110e-02 1.60499950788453236e-02 1.49412950545159320e-02 2.81204488568070551e-02 1.59727656504577951e-02 3.71351440407419479e-04 2.14836326499250529e-05 3.79605503197283275e-05 4.64458348675917800e-05 2.40361397046255003e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.02773905576920080e-01 1.50610259512226313e-01 -1.80720367912428570e-01 4.14417886192463558e-02 -2.03375416660594166e-02 1.22770649502378679e-03 1.01864132797548166e-03 8.24835939183970156e-03 1.08702688036168725e-03 7.06942870849763903e-03 5.09771333116664730e-03 1.86788669612960754e-03 8.17049368595179799e-03 4.28851418659949996e-03 8.10453360723640583e-03 2.38464177793797326e-02 2.14583248365323755e-03 6.30193436498201458e-03 1.33583870251086888e-02 2.39644763398185572e-02 4.83447488819830906e-02 2.13494020473684694e-03 1.15976327236536753e-02 2.45490938204090195e-02 4.80878480412909037e-02 -4.20708731995036048e-05 2.96332347441326904e-05 -2.16075070629112754e-04 -3.63445881886630142e-05 -1.02112108752438340e-05 9.61999999999999966e-01 1.03524119328565756e-01 2.23204259402787875e-01 1.24592171535618607e-01 -1.19392611790491696e-01 -1.75170129545102443e-01 5.88800639649975782e-03 -2.99535414195021277e-01 9.11881349867631631e-04 7.56484516682647597e-04 4.18859987462533178e-04 1.29167097832236615e-02 3.76285351052712191e-03 4.27936358289481705e-03 3.16365589145684804e-03 1.31319635140596377e-03 1.29261237043170243e-02 5.76891100398653749e-03 1.05296995657573247e-02 6.88113788640693468e-03 2.92161837802289246e-03 6.67784834748541469e-03 1.11923509050757871e-02 1.75734546042152252e-02 1.03630704392395391e-02 4.95465228842634307e-03 3.79547391483020611e-03 2.21603779829780169e-02 3.94807657029140461e-05 -4.45425878577731765e-05 -1.77209580232982379e-05 -5.33825568903599501e-04 -3.72714085330587509e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.50692693798820168e-02 1.14577277455450863e-01 -2.06724716128444869e-01 6.67038564001096734e-02 -1.39599008657689150e-01 1.14456401970888257e-03 2.50292499703768431e-04 6.58420954625610778e-03 7.14085646258019908e-04 3.95103429385221770e-03 4.82488533145573797e-03 8.16005397720695751e-04 7.57002840472685394e-03 1.89878510471661304e-03 6.40363486819076413e-03 1.04530295371036072e-02 1.79496645472987338e-03 6.19886846388652355e-03 3.46443880016569913e-03 8.09209839196578691e-03 1.51524631899511292e-02 2.97881898492973743e-03 8.39565953702250435e-03 4.68349074442050376e-03 9.30913599929950389e-03 -1.12538279685946087e-04 8.12494393227153974e-06 -2.14282826436036026e-04 1.74982305215025663e-05 -1.35822310896838183e-04 1.15700000000000025e+00 1.65261285323619056e-01 2.08698395623576533e-01
end
case chiral_soc 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.50000000000000000e+00 1.10000000000000009e+00 1.10000000000000009e+00 4.99999999999999944e-01 2.70000000000000018e+00 1.59999999999999987e+00 1.60000000000000009e+00 6.99999999999999956e-01 2.60000000000000009e+00 3.00000000000000000e+00 3.09999999999999964e+00 2.30000000000000027e+00
spins 15 1.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.00000000000000000e+00 5.99999999999999978e-01 -2.00000000000000011e-01 6.99999999999999956e-01 -4.00000000000000022e-01 8.00000000000000044e-01 2.99999999999999989e-01
potential 5 -1.90465956687687787e-01 2.07120053464092319e-01 -1.97170697636764758e-01 2.09175847678358173e-01 -1.94253585754025043e-01
forces 15 9.19978336278727202e-04 -1.18241861183495285e-02 -4.81445873990833835e-03 -4.69703382920133583e-03 5.40833830758865805e-03 -1.92101285872357157e-03 4.43072814639845162e-03 9.96492492138336024e-04 3.30039773406853258e-03 1.07640704230922333e-03 1.09618049003164693e-02 4.83248861367145503e-04 -1.73007969578506914e-03 -5.54244958169393398e-03 2.95182500319623141e-03
virial 45 -1.91242285798381290e-03 9.31088256395627006e-04 1.11171119500621390e-03 1.81468853283118722e-03 1.19124813789606328e-02 6.13723270027687409e-03 2.48381336676657813e-03 6.04315803577752143e-03 4.69485578392917716e-04 5.13659033788469712e-04 4.76456750772580838e-03 -2.20358608963141470e-03 8.62043976206857028e-03 -5.01960851657188428e-03 -3.74249427042278255e-03 5.66040178767330008e-04 -7.22403063528043871e-04 4.49999414536303910e-04 -5.03677330874590084e-03 4.44968435337560371e-03 -1.08578540364785161e-04 2.53688989223341222e-04 1.09919443169365170e-03 3.88604254655329235e-03 -2.09089057594720896e-03 4.67610744897217333e-03 -7.48439554383156184e-04 -4.35773121047485813e-03 -3.84637864655531549e-03 7.17695866002385002e-05 -5.50309320606302051e-03 -1.25102075636159445e-02 2.38263183305395315e-03 -8.61834386289404668e-04 1.49298150470187252e-03 6.11906967992805785e-03 -1.28196163976972231e-03 -3.19251647882589414e-03 2.79056501648287329e-03 -2.07927908594425070e-03 -8.17467425472461796e-03 2.80901990088475422e-03 1.56475258479581202e-03 -1.74112155774197933e-05 1.08592918437173773e-04
mforces 15 -3.14505395540392273e-03 5.19065124214312425e-03 1.27088059128061225e-02 -0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 4.80270068345745385e-03 1.25019025171358693e-02 4.03268001860299964e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 7.98950910085665690e-03 -1.03535628667951506e-03 1.70816983884721774e-02
tau 15 0.00000000000000000e+00 -1.27088059128061225e-02 5.19065124214312425e-03 -0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.25019025171358693e-02 4.80270068345745385e-03 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 1.39759655967815963e-02 9.22953208564586923e-03 -5.97746476601352002e-03
descriptor 165 -1.35652765394989799e-01 3.56478285206570725e-02 -2.06415626874716707e-01 8.91520443625707926e-02 -4.52162729690385456e-02 1.60905950393710126e-02 1.96008654663935432e-04 5.43789996362844998e-03 5.12736808107065907e-03 7.13224276676383776e-03 3.57793972589590323e-02 9.21998483503428095e-04 3.66715851442125061e-03 1.19774561679292062e-02 9.73665327718664132e-03 2.62612265347326040e-02 2.24289461709791535e-03 1.05865339083250232e-02 8.65508295425321955e-03 1.89831032332341866e-02 3.88398208949351301e-02 3.80906597174478223e-03 2.49389099254911303e-02 1.14634895928811022e-02 2.76362377179637415e-02 -1.69340003732750834e-03 9.44611680719477496e-06 -4.58568211440367552e-05 -1.79759258362150533e-04 -2.22328065967691477e-04 1.30000000000000004e+00 -1.43244299163375693e-01 1.07079975729690066e-01 2.03679883647284177e-01 -5.02933542465671540e-02 -1.98077850652705278e-01 -6.24808491833848956e-03 -2.14769329653538621e-01 4.50406465668329835e-03 7.91563154632522401e-04 9.55758435967634734e-04 1.30154392926584098e-02 4.50348576937144481e-03 1.59623165974255889e-02 2.40332637089312687e-03 2.54761700715009504e-03 4.21258608763450289e-03 2.08302100937871222e-03 2.28931920882164269e-02 3.99518158042838547e-03 4.06499498220476776e-03 7.00489764398253174e-03 3.67751285729805196e-03 2.03459443989181497e-02 3.94276886424361605e-03 5.09762119769587713e-03 2.82974550679226319e-02 8.41651011967002941e-03 5.89271067222610335e-04 9.08188737658377699e-06 3.83905819362583470e-05 -4.64440961193979002e-06 2.00822567506773172e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -8.36594535959571811e-02 1.61152238348919868e-01 -1.71715479221027284e-01 4.46495591654532606e-02 -3.60739993801290279e-02 1.53586497241535880e-03 1.22529272741464449e-05 1.29245561309707518e-02 4.82163053709124684e-04 9.86114003979736246e-03 4.36555702676762105e-03 1.68733569855835289e-05 1.71388819436049285e-02 3.57359213187364395e-03 1.07810359630016242e-02 1.90190065039736282e-02 3.05579811302444845e-05 1.55737268825667675e-02 1.16459157128295712e-02 2.08328632090888366e-02 3.82428466942174236e-02 6.32786386315726054e-05 1.20128265922319535e-02 2.23312363611760933e-02 3.71933407632141430e-02 -3.95430216840010344e-06 1.30489160742647763e-08 -8.29050702333741416e-04 -4.70329124073174033e-05 -1.01063401958716479e-04 1.30000000000000004e+00 2.96684954057313925e-02 3.28811621140603472e-01 1.82559809003013634e-01 -6.72288103086933486e-02 -1.81357960644633082e-01 9.97491943993537508e-03 -2.48666750350245103e-01 3.05888822001780091e-03 3.74620286959229153e-04 7.70538883170897635e-05 1.52701178155032445e-02 7.87918020632406499e-03 1.24351695352690889e-02 1.39157604805401655e-03 3.81339798776598484e-04 8.39562915387044410e-03 5.09457366226412703e-03 2.29203342617759764e-02 2.49083457725077922e-03 1.14972604228655794e-03 1.26533947288624197e-03 3.04810156643142921e-03 2.66905999724582690e-02 2.99456073606891486e-03 1.94362404893114356e-03 1.39137079955609037e-02 9.18405261714146451e-03 4.06018813750517126e-04 -2.33347438995141698e-06 -2.13914648484565656e-06 -2.74329401458577450e-04 -1.08006447128286337e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.41301904328728824e-02 1.46054534239007605e-01 -2.08811614984975968e-01 7.00170730914115996e-02 -1.47091196119461531e-01 1.16982335349541736e-03 3.97797316888309944e-04 8.51411281716687139e-03 1.95793020920838161e-03 3.31291505503319853e-03 4.41695722639093031e-03 8.55237652445784910e-04 1.23364542798858733e-02 3.69543571468813545e-03 4.50030009982781923e-03 8.46678852635886561e-03 1.50489390227874281e-03 1.34981008318471370e-02 5.03773269516791071e-03 4.52509163065935825e-03 1.03027536266576594e-02 2.30688844121691890e-03 1.45306240310293360e-02 5.19062612002413153e-03 4.75648326315254114e-03 -8.82034042778875161e-05 8.47239099785613160e-06 -4.88893351783688994e-04 6.94008649649120659e-05 -9.33274311326798728e-05 1.15700000000000025e+00 -4.55127158398454038e-02 2.98146041422662933e-01
end
case strained 5
types Fe Ge Fe Ge Fe
cell 9 1.42099999999999991e+01 0.00000000000000000e+00 5.60000000000000012e-02 1.56000000000000000e-01 1.28309999999999995e+01 0.00000000000000000e+00 -8.99999999999999967e-02 1.34999999999999981e-01 1.51200000000000010e+01
positions 15 1.02099999999999991e+00 9.95999999999999996e-01 1.01200000000000001e+00 2.44679999999999964e+00 1.29030000000000022e+00 8.16000000000000059e-01 7.33299999999999952e-01 2.57880000000000020e+00 1.41399999999999992e+00 1.30929999999999991e+00 5.17800000000000038e-01 2.72680000000000033e+00 3.16689999999999960e+00 2.78339999999999987e+00 2.22999999999999998e+00
spins 15 8.00000000000000044e-01 1.00000000000000006e-01 2.00000000000000011e-01 2.00000000000000011e-01 9.00000000000000022e-01 -1.00000000000000006e-01 -2.99999999999999989e-01 4.00000000000000022e-01 6.99999999999999956e-01 5.00000000000000000e-01 -2.00000000000000011e-01 5.99999999999999978e-01 -4.00000000000000022e-01 -2.99999999999999989e-01 8.00000000000000044e-01
potential 5 -1.87851223548273272e-01 2.10164869500738927e-01 -1.98666826824042880e-01 2.14780326129028115e-01 -2.02170455750897510e-01
forces 15 -3.48601004760487609e-04 -1.40910364747344925e-02 -6.12899701486692428e-03 -9.26839781372350638e-03 -2.32880308945859066e-03 1.84987945052080306e-02 2.54600171919187792e-03 7.37709701142592184e-03 6.12753653764153746e-03 1.33319891805410897e-02 1.62716168262526106e-02 -1.78491847014628398e-02 -6.26099208124897798e-03 -7.22887427348544494e-03 -6.48149326519798603e-04
virial 45 -2.16356457853148637e-03 -2.72424844924229730e-03 2.07635479531027064e-03 -1.80170965150471332e-03 1.19053999220513143e-02 4.41493124770044997e-03 4.02722534397365224e-03 4.61186779057915983e-03 -9.16666452506554588e-04 -2.90731669061386998e-03 -3.32183957314706544e-03 5.86980680700041266e-03 -2.81228621580377133e-04 -1.00514295618519475e-02 -1.34430243680484091e-03 2.18206581001799665e-03 1.15215103693671814e-03 -1.56911326136364923e-02 -3.67500484104298954e-03 1.85672543568249772e-05 -1.05109993090561063e-03 -3.25312631155237402e-03 7.25021001077125454e-03 4.77045970133002824e-03 -1.27939087564682722e-03 5.63132530991909165e-03 -2.48825652737835615e-03 -9.70666735363325157e-03 -5.61343813984673933e-03 8.23085561252287490e-03 -7.45034470764064944e-03 -1.39851663373239798e-02 1.02924062700911808e-02 1.29964130562578752e-02 1.06959938886278458e-02 -1.38392522858390293e-02 -5.08666325999906476e-03 -4.62317351972181025e-03 2.94998807050762205e-03 -3.47772313532297705e-03 -4.82988867593124246e-03 4.38634329036297326e-03 1.49592019832851982e-04 4.28500046616998517e-04 3.75586038701962877e-04
mforces 15 -7.64440011293507186e-03 -4.18305097948765961e-04 1.52921132679845560e-02 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -4.57574892989396275e-04 -6.56120151566819652e-03 1.63689018766993606e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 2.52073226953565240e-03 4.41052247902067734e-03 1.50393796116855567e-02
tau 15 1.61287234638820892e-03 -1.37625706369746588e-02 4.29795932934494483e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.11404018116474813e-02 4.59036813791723064e-03 2.15139041189621721e-03 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -8.04023186672220801e-03 8.03233766030274528e-03 -1.00798931074757539e-03
descriptor 165 -1.33465291463711638e-01 6.15805452295615924e-02 -1.92947335009623105e-01 9.79431132227189527e-02 -2.12809899533222997e-02 1.17427117038701630e-02 1.34076172592212470e-03 3.55038673499095004e-03 5.07167425544600373e-03 8.32799909880301351e-03 3.36456850854976383e-02 2.85853095750856871e-03 3.39801088650140085e-03 1.46963230403801895e-02 1.07933869607314686e-02 4.17413246766425022e-02 2.82466798265808457e-03 1.40506823388181160e-02 1.55918588399970703e-02 1.74166602972894193e-02 4.86451224729786275e-02 3.39739778306618560e-03 2.73775542713984715e-02 1.40919348421894505e-02 2.88857793282038290e-02 -2.27390871957733462e-03 4.85650363517183342e-05 6.97454952775068633e-05 -2.16287652786263613e-04 -2.00856002970737577e-04 8.97000000000000242e-01 -1.39860687658105748e-01 1.10978855779312324e-01 1.59021070142793486e-01 -1.04796416378662216e-01 -2.41522732882935132e-01 -6.40530999186485761e-02 -2.81553255637824351e-01 3.86708640129260553e-03 1.07465180070440776e-03 9.37329633648561122e-04 1.25477901401948866e-02 3.95073304101472948e-03 1.13381124521724618e-02 2.94652346663060996e-03 3.06271934991103915e-03 5.34069581336064220e-03 8.87554958643586508e-03 1.74757383100939863e-02 6.94999975522539969e-03 7.11449464186857203e-03 9.06336746325927742e-03 1.55185249676469354e-02 1.93995475568133798e-02 1.48557186700547725e-02 1.45699802839954241e-02 2.78327522756689552e-02 1.69405780466480235e-02 3.45716834274902235e-04 7.88461348794530251e-06 2.93106329887825162e-05 5.49209694582963106e-05 2.64621941787383688e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -9.92789173427576638e-02 1.51847148667788506e-01 -1.82912171846691313e-01 4.24590792953946777e-02 -2.37145761397626123e-02 1.19692151998706934e-03 1.23920686364986632e-03 7.71830338030841598e-03 1.17035800808608001e-03 6.57539488380778827e-03 5.27461450050162664e-03 2.03256040535824229e-03 7.73266278407970433e-03 4.49314863547261266e-03 7.98506351867722501e-03 2.41346695108558065e-02 2.34223274228418429e-03 6.36580928526264949e-03 1.32395986852061782e-02 2.37483312188473336e-02 4.82406334490533967e-02 2.52262240466820820e-03 1.22438899560249666e-02 2.39057159072145302e-02 4.68003686788957887e-02 -5.36925629881627556e-05 3.46209605873435181e-05 -1.83978642473114754e-04 -5.69538053604834365e-05 -3.17401685916642202e-05 9.61999999999999966e-01 1.01020558676460370e-01 2.16277693837240492e-01 1.22703972232092298e-01 -1.21093890562320283e-01 -1.76626137609966649e-01 3.10590204076519050e-03 -3.02239084939680547e-01 9.96902104918255755e-04 8.20185823244128651e-04 4.94603980002774929e-04 1.29939907193656230e-02 3.82380780260778040e-03 4.40111234996279615e-03 3.27458090492653954e-03 1.42286922228887502e-03 1.29380012818286240e-02 5.90967392050338863e-03 1.05997576127413000e-02 6.99793802677319780e-03 3.04302036020037518e-03 6.74880104499510532e-03 1.16187629406545156e-02 1.74232936021002614e-02 1.04653322638457499e-02 5.09598419278257508e-03 4.22933192167126125e-03 2.29244446216953432e-02 2.85926686227302379e-05 -4.76088042478932196e-05 -1.99358074244279308e-05 -5.34707604689337707e-04 -3.83326026081204114e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.10838553938228726e-02 1.16364029914222178e-01 -2.06136569577724360e-01 6.92735712997264996e-02 -1.41689109275188213e-01 1.04717560046247425e-03 3.12566169436697598e-04 6.37620772069556318e-03 7.62596301352749546e-04 3.61434377731474892e-03 4.49038711483498547e-03 9.05674883304741717e-04 7.46666459286649334e-03 1.77914525682623410e-03 5.92710041298236991e-03 9.92400907492709330e-03 1.87094357506336620e-03 6.35871107520124060e-03 3.06107405921731638e-03 7.54434686298502671e-03 1.47680236327729850e-02 2.98677746721374721e-03 8.65591093760711798e-03 4.12621128164769937e-03 8.61745430635279565e-03 -1.01250683344848095e-04 8.95546608674206700e-06 -2.03730889410359492e-04 1.83282998119484962e-05 -1.20744493050568263e-04 1.15700000000000025e+00 1.64352693464473260e-01 2.02305860810367055e-01
end
case random_multitype 8
types Ge Fe Ge Ge Fe Fe Ge Fe
cell 9 1.30000000000000000e+01 4.00000000000000022e-01 -2.00000000000000011e-01 0.00000000000000000e+00 1.40000000000000000e+01 2.99999999999999989e-01 0.00000000000000000e+00 0.00000000000000000e+00 1.35000000000000000e+01
positions 24 1.05195795123286806e+00 7.54513157485344976e+00 1.92678016605364433e+00 6.46852031811661554e+00 3.67791605244682529e+00 1.05287067051035566e+00 4.81735914385441433e+00 2.66519633158947888e+00 4.46326047297769435e+00 1.31815556951734236e+00 7.47518901279024117e+00 5.42123896216220835e+00 6.89722237837808461e+00 4.40524688937426134e+00 2.81634767538512243e+00 7.91697690449841840e+00 5.61941046163939095e+00 7.59164543829853056e+00 7.22363391762259788e+00 1.69287733412652353e+00 7.21909484608720842e+00 1.96643034124545912e+00 3.58552152099393107e+00 3.24131466612851726e+00
spins 24 3.42956689606492948e-01 -1.44334109384587284e+00 -9.20576318816501371e-01 -7.93035969575581312e-01 -8.50622373758950362e-03 -1.58959621466146922e-01 5.74721063246211528e-01 4.25502328712981936e-01 8.60292342154923562e-01 -5.68052435501097297e-01 6.94785435747145463e-01 1.51775094776792541e+00 -3.21782166655971369e-01 7.04734259188120715e-01 7.16111647147331332e-01 7.38660791723244614e-02 -3.32854884286343966e-01 4.08657239828918162e-01 1.49528411107386322e-01 -7.40695736034854835e-01 1.30976057471167306e-01 -4.33378437932692290e-02 2.65331202826330936e-01 -1.14193824659042251e-01
potential 8 2.17414862140088871e-01 -1.99523057775053719e-01 2.17076024769986026e-01 2.17473537263943001e-01 -1.98791773723513754e-01 -2.02103306317131581e-01 2.17442105066841612e-01 -2.03264584125870840e-01
forces 24 -2.59536372524494857e-06 -1.11854612747906354e-03 -3.25435936212931749e-03 5.21720812427258276e-03 -2.78589372632367851e-03 -1.51251222331174068e-02 9.12857102386499118e-04 1.45075172850735136e-03 1.87509441856634662e-03 7.14041333086844676e-04 -2.68012968650889515e-03 2.18988973968710539e-03 5.29089893763654354e-03 6.11314848538876705e-04 5.58812588634124367e-03 1.51571518958822267e-03 4.42212631132834957e-03 6.08964304112828182e-03 -1.46322757075594001e-03 -2.10835437184879590e-03 -2.43764439363328188e-03 -1.21848977524895066e-02 2.20873102378585677e-03 5.07437290315703154e-03
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tau 24 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.41797609752656499e-03 7.46050333952898853e-03 -7.47338694557122402e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.61504086188070557e-03 -9.25022544095553678e-03 8.37754762065297254e-03 -9.99235405052434746e-04 -3.03207023621703930e-04 -6.63498271372053243e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 4.70971706719263867e-05 1.60838857170274925e-04 3.55837784835057853e-04
descriptor 264 9.60043741182818426e-03 -8.22185699342542833e-03 -4.56573998725826324e-02 7.24602523877058285e-02 -3.42999203089353888e-02 7.81770347504711846e-06 2.10144217046427657e-05 4.32503265986222403e-04 7.52031078931573480e-06 2.11810827552738650e-05 3.01047698461256449e-05 6.40961598938784424e-05 6.99616591566818769e-04 2.88609036531861352e-05 2.07405346305944896e-05 5.18564814891004139e-05 1.08173082659136408e-04 1.09274303784456339e-03 4.91762719566973401e-05 2.88183087543233447e-05 5.43882331785712817e-05 1.24480381878265556e-04 1.79343478473045792e-03 5.08739984072234788e-05 7.02089513521599761e-05 -1.71752532494289927e-08 -1.43797002208388483e-07 -6.52149258348737263e-06 1.17367139153608756e-08 -1.69831362669083701e-09 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.08033001147247787e-01 1.12873369842930258e-02 1.00635252861637926e-02 4.68523728103371062e-02 9.89837146204058660e-02 3.10866410986726906e-03 6.20419751165511422e-05 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end
case pbc_wrap 4
types Fe Ge Fe Ge
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 12 2.50000000000000000e-01 1.10000000000000009e+00 1.19999999999999996e+00 1.34499999999999993e+01 1.39999999999999991e+00 1.00000000000000000e+00 6.79999999999999982e+00 2.00000000000000011e-01 1.44000000000000004e+01 6.50000000000000000e+00 1.25000000000000000e+01 4.50000000000000011e-01
spins 12 6.99999999999999956e-01 -1.00000000000000006e-01 2.99999999999999989e-01 -2.00000000000000011e-01 8.00000000000000044e-01 4.00000000000000022e-01 5.00000000000000000e-01 2.00000000000000011e-01 -5.99999999999999978e-01 -4.00000000000000022e-01 2.99999999999999989e-01 9.00000000000000022e-01
potential 4 -2.09858983777248626e-01 2.11308805490793339e-01 -2.07198679610202857e-01 2.12458061719683011e-01
forces 12 -8.03666778278752832e-03 3.01375041854532334e-03 -2.00916694569689986e-03 8.03666778278752832e-03 -3.01375041854532334e-03 2.00916694569689986e-03 -1.24911906913939184e-03 -2.91461116132524494e-03 4.37191674198788953e-03 1.24911906913939184e-03 2.91461116132524407e-03 -4.37191674198788953e-03
virial 36 9.14328553512214204e-03 -3.42873207567080066e-03 2.28582138378053508e-03 -3.42873207567080066e-03 1.28577452837654906e-03 -8.57183018917699949e-04 2.28582138378053291e-03 -8.57183018917699190e-04 5.71455345945133118e-04 -1.55726197613521682e-02 5.83973241050706089e-03 -3.89315494033805592e-03 5.83973241050705916e-03 -2.18989965394014632e-03 1.45993310262676999e-03 -3.89315494033803814e-03 1.45993310262676349e-03 -9.73288735084512895e-04 -5.88760246909785065e-04 -1.37377390945616468e-03 2.06066086418425125e-03 -1.37377390945616447e-03 -3.20547245539771607e-03 4.80820868309658409e-03 2.06066086418425169e-03 4.80820868309658582e-03 -7.21231302464489347e-03 2.14024526167967672e-04 4.99390561058591894e-04 -7.49085841587885238e-04 4.99390561058591568e-04 1.16524464247004847e-03 -1.74786696370506653e-03 -7.49085841587887949e-04 -1.74786696370507369e-03 2.62180044555760175e-03
mforces 12 8.57669546018318546e-03 -4.43153546488712739e-03 1.65694939035123875e-03 -0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 6.39528929302755119e-03 1.57426163941706268e-03 -8.57264870092319664e-03 -0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
tau 12 1.16376570043101439e-03 1.41314406480908851e-03 -2.24440527940267037e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -7.69972756534401809e-04 4.49150774645067758e-04 -4.91927038896979030e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
descriptor 132 -3.58142854888872583e-02 6.30598956631559376e-02 -8.69597397069553496e-02 3.46436548428701637e-03 -1.36365657516185595e-01 8.11193374802690777e-03 1.25504917354429747e-03 3.16199560265125281e-04 4.83929729015563932e-03 4.17994528032477751e-05 1.60235728356086619e-02 2.46527516231914929e-03 6.17861209713461697e-04 9.40974473085816158e-03 8.09021667159632110e-05 2.59381585276414958e-02 3.97432238289026178e-03 9.92212413245734635e-04 1.50555915693730488e-02 1.28994010263785676e-04 3.78556908241254667e-02 5.78219083525764125e-03 1.43925317086194583e-03 2.17768378057003227e-02 1.86074983446715361e-04 7.96201332328894834e-04 4.68575307859079110e-05 -5.73885261517039674e-06 3.33231211532565358e-04 2.59757218859037692e-07 7.67000000000000015e-01 1.29194769546817113e-02 -1.10571221634785402e-01 8.11818002484764045e-02 1.34964412017391285e-02 -6.24793377398345021e-02 -2.05806571304482933e-02 8.96829439631347154e-03 2.57485854400606303e-03 4.97600773125796061e-03 4.26757104918747349e-04 3.16346322286949026e-03 4.74934317934611223e-03 5.08614033383912503e-03 9.77430090068525347e-03 8.33893193519388821e-04 6.15117848891287913e-03 9.19227712131503311e-03 8.23318966540207559e-03 1.57573578156501512e-02 1.33913436371054678e-03 9.84188558226059898e-03 1.46565751878745126e-02 1.20160065386949316e-02 2.29251784761526911e-02 1.94248061549222415e-03 1.42355845029126672e-02 2.11422373790245699e-02 -1.42385698463531803e-04 3.69921740496565810e-04 8.99817259793792308e-06 -1.76123133185280683e-04 3.14602420159158151e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -2.84483589104269005e-02 1.67275181657993155e-02 -1.02622511020526025e-01 2.35347915673731825e-02 -9.76388032999287031e-02 5.87813794283802843e-03 2.83747495812412500e-06 1.75475280656774038e-03 4.31300655960631038e-03 3.93703809137333383e-04 1.16111366772109134e-02 5.57361152488667342e-06 3.42882732317834277e-03 8.38640164367893473e-03 7.62007372523870784e-04 1.87955274962350975e-02 8.98533736739302741e-06 5.50629328957461146e-03 1.34182426298862442e-02 1.21497842174638914e-03 2.74313103999107577e-02 1.30726524856432738e-05 7.98715070575660262e-03 1.94085295182283742e-02 1.75261695680490074e-03 4.91129439599538717e-04 -5.03716691524287418e-09 -7.50251888828058473e-05 2.80377007397234737e-04 -7.50872425832246831e-06 8.45000000000000084e-01 4.52184062279319399e-02 -7.18174687149507468e-02 7.29013968529618889e-02 1.28252253556532716e-02 -1.36479083985716704e-01 -5.98811658537982544e-02 2.52020955277459241e-02 1.11031670286754365e-04 2.68296566650002037e-03 1.65427717697953498e-03 7.70463583757299213e-04 1.98181857040965125e-04 2.19321817850379023e-04 5.27011113062504123e-03 3.23249563317840223e-03 1.49812363508363810e-03 3.83577787821222827e-04 3.55027192645299887e-04 8.49605794391670652e-03 5.19100769328059361e-03 2.39699781613381211e-03 6.11593472803836457e-04 5.18147794671520155e-04 1.23608061063750895e-02 7.52981335728615964e-03 3.46708612690784651e-03 8.82228911988811927e-04 -1.27498952607825228e-06 1.46457278177888477e-04 6.86745142232997920e-05 -2.11690024256792898e-05 2.68168381885986258e-06 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
end
case cutoff_boundary 3
types Fe Ge Fe
cell 9 3.00000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 3.00000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 3.00000000000000000e+01
positions 9 1.00000000000000000e+01 1.00000000000000000e+01 1.00000000000000000e+01 1.59990000000000006e+01 1.00000000000000000e+01 1.00000000000000000e+01 1.60010000000000012e+01 1.00000000000000000e+01 1.00000000000000000e+01
spins 9 8.00000000000000044e-01 2.00000000000000011e-01 -1.00000000000000006e-01 1.00000000000000006e-01 -6.99999999999999956e-01 4.00000000000000022e-01 -2.00000000000000011e-01 2.99999999999999989e-01 9.00000000000000022e-01
potential 3 -2.05749852598610616e-01 2.12958258221639884e-01 -2.06853377505336000e-01
forces 9 -1.54117698045859538e-06 0.00000000000000000e+00 0.00000000000000000e+00 -1.53561140034324615e-02 0.00000000000000000e+00 0.00000000000000000e+00 1.53576551804129168e-02 0.00000000000000000e+00 0.00000000000000000e+00
virial 27 5.32579306380842247e-06 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -8.19699234890633921e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.16604961491862186e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
mforces 9 8.95211453733862038e-03 2.23802862565635136e-03 -1.11901431222967179e-03 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -2.40518172412107229e-03 5.80311471272588249e-03 7.43051629024912754e-03
tau 9 1.19700780907610468e-13 -3.95012456537232929e-12 -6.94264288889507326e-12 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -2.99364835437855668e-03 -6.78560293659139576e-04 -4.39068425308854844e-04
descriptor 99 -5.75499401432922745e-10 1.09668231527727234e-10 -7.48499337639836502e-09 4.91894864674287071e-09 -8.02550715443475954e-09 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 8.97000000000000242e-01 -3.71630183402608174e-11 2.49903768612621841e-10 1.26077620869433638e-01 -7.21298609877418367e-02 -1.27617235906666432e-01 -3.78217197584273454e-02 -1.40647842964283620e-01 5.27547063873754635e-03 3.62743091070484884e-03 5.98699512243958840e-06 4.05149371401591907e-03 1.38476234368909725e-03 1.04206827431852500e-02 7.12531071745593596e-03 1.16987261013187063e-05 7.87790444391982259e-03 2.68018518133373001e-03 1.68684801905311064e-02 1.14868645505653132e-02 1.87867777980000207e-05 1.26046471102717033e-02 4.27340637245988628e-03 2.46188629807751747e-02 1.67120924100330297e-02 2.72511502124836061e-05 1.82317217130716115e-02 6.16442591706758448e-03 -4.17568878209043949e-04 2.30243304810267234e-04 -1.49519052209979832e-08 -2.55267175002143575e-04 -4.95307151686181485e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.42163589525149764e-01 2.64262419231333159e-02 -2.26561760105987636e-01 2.20098569667320706e-02 -2.25786365584467630e-01 5.58737416578469499e-03 2.37838228773944404e-04 5.56393356370158722e-04 9.24864655400437462e-03 2.37428559331491268e-03 1.10367884756240597e-02 4.67182235091675362e-04 1.08720540899915783e-03 1.79834794105640169e-02 4.59539147093207707e-03 1.78658013449164293e-02 7.53154391117488026e-04 1.74592398033393981e-03 2.87735670569023924e-02 7.32709640087502671e-03 2.60744127736618724e-02 1.09575469685138519e-03 2.53254907037451203e-03 4.16189094930196346e-02 1.05694003831437889e-02 4.55143076318278224e-04 3.86554540605242059e-06 -1.33954122077830943e-05 8.80419174012498870e-04 -1.11201633544979534e-04 1.22200000000000020e+00 -1.63037634597883972e-02 -8.43347067789344540e-02
end
